Information card for entry 4113576

Structure parameters

• Formula: C52 H76 N6 P2 Si5 Ta2
• Calculated formula: C52 H71 N6 P2 Si5 Ta2
• SMILES: [Ta]1234([Ta]56([P](C[Si](N5c5ccccc5)(C)C)(C[Si](N6c5ccccc5)(C)C)c5ccccc5)N3N4[SiH2]CCCC)[P](c3ccccc3)(C[Si](N1c1ccccc1)(C)C)C[Si](N2c1ccccc1)(C)C
• Title of publication: Hydrosilylation of a Dinuclear Tantalum Dinitrogen Complex: Cleavage of N2 and Functionalization of Both Nitrogen Atoms
• Authors of publication: Michael D. Fryzuk; Bruce A. MacKay; Brian O. Patrick
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 3234 - 3235
• a: 27.6 ± 0.006 Å
• b: 17.262 ± 0.004 Å
• c: 14.701 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7004 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No